1-chloro-3-fluoro-2-(phenoxymethyl)benzene

C13H10ClFO — CID 957498

IUPAC1-chloro-3-fluoro-2-(phenoxymethyl)benzene
SMILESFc1cccc(Cl)c1COc1ccccc1
InChIInChI=1S/C13H10ClFO/c14-12-7-4-8-13(15)11(12)9-16-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyWQQVNJGEXQTSOR-UHFFFAOYSA-N
MW236.67 g/mol
LogP4.06
Rot. Bonds3

About 1-chloro-3-fluoro-2-(phenoxymethyl)benzene

1-chloro-3-fluoro-2-(phenoxymethyl)benzene (PubChem CID 957498) has the molecular formula C13H10ClFO and a molecular weight of 236.67 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-(phenoxymethyl)benzene
PubChem CID957498
Molecular FormulaC13H10ClFO
Molecular Weight236.67 g/mol
Exact Mass236.04
IUPAC Name1-chloro-3-fluoro-2-(phenoxymethyl)benzene
SMILESFc1cccc(Cl)c1COc1ccccc1
InChIInChI=1S/C13H10ClFO/c14-12-7-4-8-13(15)11(12)9-16-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyWQQVNJGEXQTSOR-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-(phenoxymethyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-2-(phenoxymethyl)benzene (CID 957498) is 1-chloro-3-fluoro-2-(phenoxymethyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-(phenoxymethyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-(phenoxymethyl)benzene is Fc1cccc(Cl)c1COc1ccccc1.
What is the InChIKey of 1-chloro-3-fluoro-2-(phenoxymethyl)benzene?
The InChIKey is WQQVNJGEXQTSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO/c14-12-7-4-8-13(15)11(12)9-16-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-chloro-3-fluoro-2-(phenoxymethyl)benzene?
1-chloro-3-fluoro-2-(phenoxymethyl)benzene has a molecular weight of 236.67 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-(phenoxymethyl)benzene is sourced from PubChem (CID 957498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).